Structure #1 Mrv0541 02241222242D 52 55 0 0 0 0 999 V2000 20.2090 -4.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4946 -4.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2090 -5.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6380 -5.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3524 -5.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9235 -4.6381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6380 -3.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3524 -2.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8515 -4.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3365 -3.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9235 -3.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6380 -4.2256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6380 -5.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3524 -4.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0669 -4.2256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0669 -3.4006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0669 -2.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0669 -5.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2805 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5660 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7095 -2.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7095 -3.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4239 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1370 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8515 -2.3207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9949 -1.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9949 -1.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8515 -3.1457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5660 -2.7332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9235 -5.4631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9235 -6.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4946 -5.4631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6379 -11.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3522 -12.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7801 -6.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4945 -7.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0656 -7.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4946 -7.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2090 -8.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2090 -9.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9234 -9.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9234 -10.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6379 -10.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7801 -5.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0668 -11.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7812 -12.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4957 -11.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2102 -12.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9247 -11.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6391 -12.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3536 -11.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0681 -12.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 16 8 1 0 0 0 0 15 14 1 0 0 0 0 15 9 1 0 0 0 0 12 7 1 0 0 0 0 12 6 1 0 0 0 0 14 12 1 0 0 0 0 14 5 2 0 0 0 0 6 30 1 0 0 0 0 6 11 1 1 0 0 0 6 1 1 0 0 0 0 10 28 1 0 0 0 0 7 8 1 0 0 0 0 10 9 1 0 0 0 0 4 5 1 0 0 0 0 30 3 1 0 0 0 0 30 4 1 0 0 0 0 2 1 1 0 0 0 0 32 3 1 0 0 0 0 32 2 1 0 0 0 0 12 13 1 6 0 0 0 15 18 1 6 0 0 0 16 17 1 1 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 25 28 1 0 0 0 0 21 26 1 0 0 0 0 23 21 1 0 0 0 0 21 22 1 0 0 0 0 25 24 1 6 0 0 0 26 27 2 0 0 0 0 28 29 1 6 0 0 0 30 31 1 6 0 0 0 32 44 1 1 0 0 0 43 33 1 0 0 0 0 33 34 2 0 0 0 0 45 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 35 44 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 M END > YMDB00541 > YMDB > CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@]([H])(CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]4(C)CC[C@]23[H])C1 > InChI=1S/C46H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h15-16,27,35,37-39,41-43H,4,8-14,17-26,28-34H2,1-3,5-7H3/b16-15-/t37-,38+,39+,41-,42+,43+,45+,46-/m1/s1 > WXTXUXMQBSJEQW-PIJZSGCZSA-N > C46H78O2 > 663.1103 > 662.60018174 > 1 > 88.48094461111253 > 0 > 0 > 0 > 0 > (1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl (9Z)-octadec-9-enoate > 10.83 > 14.500531891666668 > -7.39 > 1 > 4 > 0 > -7.04152006517233 > 26.3 > 208.8526 > 22 > 0 > 2.72e-05 g/l > episteryl oleate > 0 > YMDB00541 > episteryl oleate > 1-oleoyl-cholesterol; 18:1(9Z) Cholesterol ester; 3beta-Hydroxy-5-cholestene 3-oleate; 5-Cholesten-3b-ol 3-oleate; Cholest-5-en-3-beta-yl oleate; Cholest-5-en-3-ol (3b)-(Z)-9-octadecenoate; Cholest-5-en-3-ol (3b)-(Z)-9-octadecenoic acid; Cholest-5-en-3-ol (3beta)-, 9-octadecenoate, (Z)-; Cholest-5-en-3-yl (9Z)-9-octadecenoate; cholest-5-en-3b-yl; cholesterol 1-(9Z-octadecenoate; cholesterol 1-(9Z-octadecenoate); cholesterol 1-(9Z-octadecenoic acid; cholesterol 1-(9Z-octadecenoic acid); Cholesterol 3beta-oleate; Cholesterol Ester(18:1); Cholesterol Ester(18:1/0:0); Cholesterol Ester(18:1n9/0:0); Cholesterol Ester(18:1w9/0:0); Cholesterol, oleate; Cholesteroyl-oleate; Cholesteryl [9,10-3H]oleate; cholesteryl 1-oleoate; cholesteryl 1-oleoic acid; Cholesteryl cis-9-octadecenoate; Cholesteryl cis-9-octadecenoic acid; Cholesteryl oleate; Cholesteryl oleate-9,10-3H; Cholesteryl oleate-9,10-t2; Cholesteryl oleic ester; Cholesteryl-beta-D-glucoside; Cholesteryl-beta-delta-glucoside; Oleic acid cholesteryl ester; Oleoylcholesterol $$$$